SCHEMBL7950853

SCHEMBL7950853

C=C(C)CN(CC)c1c(-c2c(Cl)cc(Cl)cc2Cl)c(Cl)nc2ncnn12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
ENPP1 P22413 3/20 0.34
CRHR1 P34998 3/20 0.34
CDK1 P06493 1/20 0.33
CDK2 P24941 1/20 0.33
GSK3B P49841 1/20 0.33
KDM4E B2RXH2 1/20 0.32
THRB P10828 1/20 0.32
ALDH1A1 P00352 2/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
TP53 P04637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTT P42858 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4816582 0.90 MBOAT4 (0.37) MAPK1LMNACYP1A2ENPP1CRHR1
SCHEMBL7960560 0.89 LMNA (0.47) MAPK1LMNACYP1A2ENPP1CRHR1
SCHEMBL4819883 0.87 KDM4E (0.41) MAPK1LMNACYP1A2ENPP1CRHR1
SCHEMBL7492832 0.87 LMNA (0.38) MAPK1LMNACYP1A2ENPP1CRHR1
SCHEMBL4819244 0.86 MAPK1 (0.38) MAPK1LMNACYP1A2ENPP1CRHR1
SCHEMBL4817223 0.85 ALDH1A1 (0.35) MAPK1LMNACYP1A2ENPP1CRHR1
SCHEMBL4820870 0.84 ENPP1 (0.38) MAPK1LMNACYP1A2ENPP1ALDH1A1
SCHEMBL6188333 0.83 LMNA (0.35) MAPK1LMNACYP1A2CRHR1THRB
SCHEMBL4819349 0.83 CRHR1 (0.38) MAPK1LMNACYP1A2ENPP1CRHR1
SCHEMBL4821705 0.81 LMNA (0.34) MAPK1LMNACYP1A2CRHR1THRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242451-B1 Fungicidal trihalophenyl-triazolopyrimidines BASF AKTIENGESELLSCHAFT 2001-06-05 US claimed
US-5985883-A FUNGICIDAL ACTIVITY AGAINST RICE BLAST DISEASE AMERICAN CYANAMID COMPANY (US) 1999-11-16 US claimed
US-6242451-B1 Fungicidal trihalophenyl-triazolopyrimidines BASF AKTIENGESELLSCHAFT 2001-06-05 US disclosed
US-5985883-A FUNGICIDAL ACTIVITY AGAINST RICE BLAST DISEASE AMERICAN CYANAMID COMPANY (US) 1999-11-16 US disclosed